4M1B
Structural Determination of BA0150, a Polysaccharide Deacetylase from Bacillus anthracis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-04-09 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.28260 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 47.173, 75.795, 124.540 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.115 - 1.990 |
R-factor | 0.1723 |
Rwork | 0.170 |
R-free | 0.21410 |
Structure solution method | Rosetta |
RMSD bond length | 0.007 |
RMSD bond angle | 1.040 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | Rosetta |
Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.115 | 2.100 |
High resolution limit [Å] | 1.990 | 1.990 |
Rmerge | 0.082 | 0.592 |
Number of reflections | 31120 | |
<I/σ(I)> | 16.2 | 2.3 |
Completeness [%] | 98.9 | 94.3 |
Redundancy | 5.9 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 0.1 M Tris, pH 8.0, 0.2 M NaCl, 30-34% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |